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Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

Large Language Models (LLMs) now excel at generative skills and can create content at impeccable speeds. However, they are imperfect and still make various mistakes. In a Computer Science education context, as these models are widely…

Human-Computer Interaction · Computer Science 2024-10-11 Qianou Ma , Hua Shen , Kenneth Koedinger , Tongshuang Wu

Large language models (LLMs), such as ChatGPT/GPT-4, have proven to be powerful tools in promoting the user experience as an AI assistant. The continuous works are proposing multi-modal large language models (MLLM), empowering LLMs with the…

Computation and Language · Computer Science 2023-10-23 Ziqiang Zheng , Jipeng Zhang , Tuan-Anh Vu , Shizhe Diao , Yue Him Wong Tim , Sai-Kit Yeung

Production LLM coding agents drift over long sessions: they forget user-specified constraints, slip into mistakes the user already flagged, and confabulate prior agreements. White-box approaches such as persona vectors require model weights…

Cryptography and Security · Computer Science 2026-05-12 Chunxiao Wang

Advancements in retrieving accessible information have evolved faster in the last few years compared to the decades since the internet's creation. Search engines, like Google, have been the number one way to find relevant data. They have…

Information Retrieval · Computer Science 2025-03-28 Karanbir Singh , William Ngu

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs)…

Computation and Language · Computer Science 2024-03-20 Zhiyu Yang , Zihan Zhou , Shuo Wang , Xin Cong , Xu Han , Yukun Yan , Zhenghao Liu , Zhixing Tan , Pengyuan Liu , Dong Yu , Zhiyuan Liu , Xiaodong Shi , Maosong Sun

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

Long-horizon tasks that require sustained reasoning and multiple tool interactions remain challenging for LLM agents: small errors compound across steps, and even state-of-the-art models often hallucinate or lose coherence. We identify…

Artificial Intelligence · Computer Science 2025-10-13 Guangya Wan , Mingyang Ling , Xiaoqi Ren , Rujun Han , Sheng Li , Zizhao Zhang

While Large Language Models (LLMs) have shown remarkable advancements in reasoning and tool use, they often fail to generate optimal, grounded solutions under complex constraints. Real-world travel planning exemplifies these challenges,…

Artificial Intelligence · Computer Science 2025-10-01 Jihye Choi , Jinsung Yoon , Jiefeng Chen , Somesh Jha , Tomas Pfister

Powered by the emerging large language models (LLMs), autonomous geographic information systems (GIS) agents have the potential to accomplish spatial analyses and cartographic tasks. However, a research gap exists to support fully…

Information Retrieval · Computer Science 2024-08-09 Huan Ning , Zhenlong Li , Temitope Akinboyewa , M. Naser Lessani

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

In recent years, the rapid advancement of Large Language Models (LLMs) such as the Generative Pre-trained Transformer (GPT) has attracted increasing attention due to their potential in a variety of practical applications. The application of…

Artificial Intelligence · Computer Science 2025-04-24 Jinzhou Lin , Han Gao , Xuxiang Feng , Rongtao Xu , Changwei Wang , Man Zhang , Li Guo , Shibiao Xu

Language models have become increasingly powerful tools for formal mathematical reasoning. However, most existing approaches rely exclusively on either large general-purpose models or smaller specialized models, each with distinct…

Artificial Intelligence · Computer Science 2025-07-22 Nicolas Wischermann , Claudio Mayrink Verdun , Gabriel Poesia , Francesco Noseda

Machine learning (ML) has the potential to revolutionize various domains, but its adoption is often hindered by the disconnect between the needs of domain experts and translating these needs into robust and valid ML tools. Despite recent…

Machine Learning · Computer Science 2025-12-22 Evgeny Saveliev , Jiashuo Liu , Nabeel Seedat , Anders Boyd , Mihaela van der Schaar

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting…

Computation and Language · Computer Science 2024-10-30 Andrew D. McNaughton , Gautham Ramalaxmi , Agustin Kruel , Carter R. Knutson , Rohith A. Varikoti , Neeraj Kumar

Advances in large language models (LLMs) have created new opportunities in data science, but their deployment is often limited by the challenge of finding relevant data in large data lakes. Existing methods struggle with this: both single-…

Multiagent Systems · Computer Science 2026-02-03 Alireza Salemi , Mihir Parmar , Palash Goyal , Yiwen Song , Jinsung Yoon , Hamed Zamani , Tomas Pfister , Hamid Palangi

Capitalizing on the remarkable advancements in Large Language Models (LLMs), there is a burgeoning initiative to harness LLMs for instruction following robotic navigation. Such a trend underscores the potential of LLMs to generalize…

Computer Vision and Pattern Recognition · Computer Science 2024-09-23 Gengze Zhou , Yicong Hong , Zun Wang , Xin Eric Wang , Qi Wu

The unstructured nature of clinical notes within electronic health records often conceals vital patient-related information, making it challenging to access or interpret. To uncover this hidden information, specialized Natural Language…

Industries such as finance, meteorology, and energy generate vast amounts of data daily. Efficiently managing, processing, and displaying this data requires specialized expertise and is often tedious and repetitive. Leveraging large…

Computation and Language · Computer Science 2025-05-20 Wenqi Zhang , Yongliang Shen , Zeqi Tan , Guiyang Hou , Weiming Lu , Yueting Zhuang